![2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid structure](/static/products/1007/1007926-49-9.webp)
2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid
TL;DR: 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid (CAS 1007926-49-9) is a chemical compound with molecular formula C12H13ClN2O5S and molecular weight 332.02338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid
Also Known As: 2-[(2-chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid, 2-(2-Chloro-4-nitro-benzoylamino)-4-methylsulfanyl-butyric acid, 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid, 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoic Acid, 2-[(2-chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoicacid
Technical Specifications
| Molecular Formula | C12H13ClN2O5S |
| Molecular Weight | 332.02338 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.02338 Da |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
| SMILES | CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | KAOQIXZZUZYNRH-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid
Property Insights of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid is 1007926-49-9.
What is the molecular formula of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid is C12H13ClN2O5S.
What is the molecular weight of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid is 332.02338 g/mol.
Where can I buy 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Chloro-4-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.